CID 15266

2-methylhexadecane

Structural Information

Molecular Formula
C17H36
SMILES
CCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C17H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h17H,4-16H2,1-3H3
InChIKey
FNWWOHKUXFTKGN-UHFFFAOYSA-N
Compound name
2-methylhexadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3384
Patents

240.28171 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.28899 169.8
[M+Na]+ 263.27093 172.2
[M-H]- 239.27443 168.1
[M+NH4]+ 258.31553 187.8
[M+K]+ 279.24487 169.6
[M+H-H2O]+ 223.27897 163.6
[M+HCOO]- 285.27991 188.9
[M+CH3COO]- 299.29556 201.5
[M+Na-2H]- 261.25638 169.7
[M]+ 240.28116 174.6
[M]- 240.28226 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe